Crystallography Open Database

Information card for entry 7721096

Preview

Coordinates	7721096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.5 H37 Cl3.5 N10.5 O14.5 Th
Calculated formula	C35 H32.5 Cl2 N9.5 O14 Th
Title of publication	Competitive Coordination of Uranium(VI) and Thorium(IV) by Tetradentate Phenanthroline Ligands: Structural and Spectroscopic Investigation of U(VI)-Th(IV) Mixed Ion Pair Formation
Authors of publication	Gutorova, Svetlana; Matveev, Petr I.; Evsiunina, Mariia V.; Wang, Qiushi; Lemport, Pavel S.; Kalle, Paulina; Koshelev, Daniil S.; Utochnikova, Valentina V.; Averin, Alexey A.; Poliakova, Tatiana R.; Gerasimov, Mikhail A.; Petrov, Vladimir G.; Ustynyuk, Yuri; Kalmykov, Stepan; Nenajdenko, Valentine
Journal of publication	Dalton Transactions
Year of publication	2026
a	16.5634 ± 0.0007 Å
b	17.5931 ± 0.0007 Å
c	20.1553 ± 0.0008 Å
α	65.578 ± 0.001°
β	75.771 ± 0.001°
γ	62.986 ± 0.001°
Cell volume	4752.1 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

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